ethyl 2-nitro-5-pyrazol-1-yl-benzoate

Systemtic Name: ethyl 2-nitro-5-pyrazol-1-yl-benzoate Openeye Name: ethyl 2-nitro-5-pyrazol-1-yl-benzoate CAS Name: 2-nitro-5-(1-pyrazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-nitro-5-pyrazol-1-ylbenzoate Traditional Name: 2-nitro-5-pyrazol-1-yl-benzoic acid ethyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N2C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N2C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-2-19-12(16)10-8-9(14-7-3-6-13-14)4-5-11(10)15(17)18/h3-8H,2H2,1H3